Geometry & MOs

Info

ID:	249533
PubChem CID:	103090283
Reduced:	SN3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	289.161269
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	5.15
IP(EA), eV:	-8.2(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylsulfanylpropyl)-2-phenyl-3-propan-2-ylimidazol-4-amine

Drug info:

PubChemData

Smile

CCCCN1C(=NC(=C1N)CCCSC)C2CCCCC2

DOS

IR

Vibrations